Information card for entry 1542503

Structure parameters

• Chemical name: 2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
• Formula: C18 H20 N2 O5
• Calculated formula: C18 H18 N2 O5
• SMILES: c1(c2cc(c(cc2)OC)OC)nnc(c2cc(c(cc2)OC)OC)o1
• Title of publication: 2,5-Bis(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
• Authors of publication: Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 2
• Pages of publication: x160167
• a: 22.135 ± 0.004 Å
• b: 8.468 ± 0.0016 Å
• c: 8.6198 ± 0.0017 Å
• α: 90°
• β: 93.287 ± 0.002°
• γ: 90°
• Cell volume: 1613 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes